5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C12H14N4O4S — CID 60950268

IUPAC5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C12H14N4O4S/c1-2-16(8-9-3-5-13-6-4-9)21(19,20)11-10(12(17)18)7-14-15-11/h3-7H,2,8H2,1H3,(H,14,15)(H,17,18)
InChIKeyOZZJUUQZCJVEKZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.71
Rot. Bonds6

About 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60950268) has the molecular formula C12H14N4O4S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60950268
Molecular FormulaC12H14N4O4S
Molecular Weight310.33 g/mol
Exact Mass310.07
IUPAC Name5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C12H14N4O4S/c1-2-16(8-9-3-5-13-6-4-9)21(19,20)11-10(12(17)18)7-14-15-11/h3-7H,2,8H2,1H3,(H,14,15)(H,17,18)
InChIKeyOZZJUUQZCJVEKZ-UHFFFAOYSA-N
XLogP0.71
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107397572
5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid
CID 60952354
5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60910761
4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618317
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950521
5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951166
3-[4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 73399082
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60949550
5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950374

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60950268) is 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is CCN(Cc1ccncc1)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is OZZJUUQZCJVEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-2-16(8-9-3-5-13-6-4-9)21(19,20)11-10(12(17)18)7-14-15-11/h3-7H,2,8H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60950268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).